Detailed information for compound 1390747

Basic information

Technical information
  • TDR Targets ID: 1390747
  • Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1- yl]-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazo l-4-yl]methylsulfanyl]ethanone
  • MW: 479.591 | Formula: C26H29N3O4S
  • H donors: 0 H acceptors: 2 LogP: 3.89 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)c1oc(c(n1)CSCC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C
  • InChi: 1S/C26H29N3O4S/c1-18-4-3-5-21(12-18)26-27-22(19(2)33-26)15-34-16-25(30)29-10-8-28(9-11-29)14-20-6-7-23-24(13-20)32-17-31-23/h3-7,12-13H,8-11,14-17H2,1-2H3
  • InChiKey: JWVSJCFGNGOQNH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[[5-methyl-2-(3-methylphenyl)oxazol-4-yl]methylsulfanyl]ethanone
  • 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[[5-methyl-2-(3-methylphenyl)-4-oxazolyl]methylthio]ethanone
  • 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[[5-methyl-2-(3-methylphenyl)oxazol-4-yl]methylthio]ethanone
  • 1-(1,3-benzodioxol-5-ylmethyl)-4-[({[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)acetyl]piperazine
  • MLS000046831
  • SMR000032842

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0196 0.1743 1
Brugia malayi Cytochrome P450 family protein 0.0196 0.1743 0.2486
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0121 0.0957 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.015 0.0183
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0121 0.0957 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.1238 0.1767
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.015 0.0478
Leishmania major stearic acid desaturase, putative 0.0808 0.8198 1
Brugia malayi hypothetical protein 0.0148 0.1238 0.1767
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0113 0.0867 0.1057
Loa Loa (eye worm) hypothetical protein 0.0045 0.015 0.0214
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.015 0.0128
Trypanosoma brucei cytochrome P450, putative 0.0196 0.1743 0.2126
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.015 0.5
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.015 0.5
Loa Loa (eye worm) CYP4Cod1 0.0196 0.1743 0.2486
Leishmania major delta-5 fatty acid desaturase 0.0296 0.2798 0.3413
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0121 0.0957 0.11
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0121 0.0957 1
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0121 0.0957 0.11
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0121 0.0957 1
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0112 0.086 0.8985
Brugia malayi Cytochrome P450 family protein 0.0121 0.0957 0.1365
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.015 0.5
Schistosoma mansoni survival motor neuron protein 0.0058 0.0293 0.0973
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.015 0.0478
Trypanosoma brucei delta-4 fatty acid desaturase 0.0112 0.086 0.1049
Onchocerca volvulus Huntingtin homolog 0.0148 0.1238 0.1489
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0121 0.0957 0.1167
Loa Loa (eye worm) cytochrome P450 0.0121 0.0957 0.1365
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0112 0.086 0.0839
Brugia malayi intermediate filament protein 0.0033 0.0022 0.0032
Brugia malayi Delta5 fatty acid desaturase 0.0296 0.2798 0.399
Plasmodium falciparum stearoyl-CoA desaturase 0.0696 0.7011 1
Leishmania major fatty-acid desaturase, putative 0.0808 0.8198 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0121 0.0957 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.015 0.0478
Leishmania major delta-6 fatty acid desaturase 0.0113 0.0867 0.1057
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.015 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0196 0.1743 0.2126
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0121 0.0957 0.11
Loa Loa (eye worm) FAT-3 protein 0.0296 0.2798 0.399
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0121 0.0957 1
Loa Loa (eye worm) acyl-CoA desaturase 0.0696 0.7011 1
Leishmania major cytochrome p450-like protein 0.0196 0.1743 0.2126
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0022 0.0032
Toxoplasma gondii cytochrome p450 superfamily protein 0.0121 0.0957 1
Leishmania major fatty acid desaturase, putative 0.0112 0.086 0.1049
Schistosoma mansoni hypothetical protein 0.0058 0.0293 0.0973
Loa Loa (eye worm) fatty acid desaturase 0.0112 0.086 0.1226
Mycobacterium leprae putative cytochrome p450 0.0121 0.0957 0.5
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0121 0.0957 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0121 0.0957 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0314 0.0447
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0121 0.0957 0.11
Brugia malayi Cytochrome P450 family protein 0.0408 0.3984 0.5682
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0121 0.0957 0.1167
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0121 0.0957 0.11
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0121 0.0957 0.1167
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0121 0.0957 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0196 0.1743 0.2486
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0112 0.086 0.314
Mycobacterium tuberculosis Probable conserved membrane protein 0.0113 0.0867 0.0702
Leishmania major delta-12 fatty acid desaturase 0.0112 0.086 0.1049
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0121 0.0957 0.11
Loa Loa (eye worm) hypothetical protein 0.0184 0.1617 0.2307
Leishmania major cytochrome p450-like protein 0.0121 0.0957 0.1167
Loa Loa (eye worm) hypothetical protein 0.0148 0.1238 0.1767
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0121 0.0957 0.11
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0121 0.0957 1
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0121 0.0957 0.11
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0113 0.0867 0.1057
Mycobacterium leprae Conserved hypothetical protein 0.0121 0.0957 0.5
Onchocerca volvulus 0.0297 0.2804 0.3406
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0121 0.0957 0.11
Trypanosoma cruzi fatty acid desaturase, putative 0.0808 0.8198 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.015 0.0458
Loa Loa (eye worm) fatty acid desaturase 0.0112 0.086 0.1226
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0121 0.0957 0.11
Echinococcus multilocularis 0.0121 0.0957 0.0937
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.015 0.0183
Loa Loa (eye worm) cytochrome P450 family protein 0.0408 0.3984 0.5682
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.015 0.0458
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0112 0.086 0.1049
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.0696 0.7011 1
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0121 0.0957 0.11
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.015 0.0183
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0121 0.0957 0.11
Schistosoma mansoni cytochrome P450 0.0121 0.0957 0.3359
Loa Loa (eye worm) cytochrome P450 family protein 0.0196 0.1743 0.2486
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.0112 0.086 0.1049
Brugia malayi acyl-CoA desaturase 0.0696 0.7011 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0113 0.0161
Echinococcus granulosus Fatty acid desaturase type 1 0.0112 0.086 0.314
Trypanosoma cruzi fatty acid desaturase, putative 0.0696 0.7018 0.856
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2689 0.2672
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0121 0.0957 1
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0121 0.0957 0.11
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0314 0.0447
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0121 0.0957 1
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.0112 0.086 0.1049
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0022 0.0032
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0121 0.0957 0.11
Loa Loa (eye worm) hypothetical protein 0.0296 0.2798 0.399
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2689 1
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0112 0.086 0.1049
Onchocerca volvulus 0.0058 0.0293 0.0331
Trypanosoma cruzi fatty acid desaturase, putative 0.0696 0.7018 0.856
Trypanosoma cruzi fatty acid desaturase, putative 0.0112 0.086 0.1049
Brugia malayi Fatty acid desaturase family protein 0.0112 0.086 0.1226
Leishmania major cytochrome p450-like protein 0.0121 0.0957 0.1167
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0022 0.0032
Loa Loa (eye worm) hypothetical protein 0.0033 0.0022 0.0032
Leishmania major fatty acid desaturase, putative 0.0112 0.086 0.1049
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0121 0.0957 1
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0112 0.086 0.1049
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0121 0.0957 0.11
Schistosoma mansoni hypothetical protein 0.0121 0.0957 0.3359
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0121 0.0957 1
Onchocerca volvulus 0.0808 0.8191 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0121 0.0957 1
Onchocerca volvulus 0.0808 0.8191 1
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0112 0.086 0.0839
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0121 0.0957 0.1167
Mycobacterium ulcerans hypothetical protein 0.0113 0.0867 0.0077
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0121 0.0957 0.1167
Schistosoma mansoni hypothetical protein 0.0041 0.0113 0.0325
Loa Loa (eye worm) hypothetical protein 0.0286 0.2689 0.3835
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0121 0.0957 0.11
Trypanosoma brucei fatty acid desaturase, putative 0.0808 0.8198 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.015 0.0128
Loa Loa (eye worm) hypothetical protein 0.0032 0.0016 0.0023
Trypanosoma brucei cytochrome b5-dependent oleate desaturase 0.0112 0.086 0.1049
Trypanosoma cruzi fatty acid desaturase, putative 0.0112 0.086 0.1049
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0121 0.0957 0.11
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0293 0.0418
Loa Loa (eye worm) hypothetical protein 0.0041 0.0113 0.0161
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.015 0.0128
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.0112 0.086 0.1049
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0121 0.0957 0.11
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0314 0.0447
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0112 0.086 0.0839
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.015 0.5
Brugia malayi Fatty acid desaturase family protein 0.0112 0.086 0.1226
Loa Loa (eye worm) hypothetical protein 0.006 0.0314 0.0447
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.0112 0.086 0.1049
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0121 0.0957 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.015 0.0183
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0121 0.0957 0.11
Loa Loa (eye worm) hypothetical protein 0.0075 0.0465 0.0663
Schistosoma mansoni fatty acid desaturase 0.0297 0.2804 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.015 0.0214
Echinococcus granulosus cytochrome P450 2K1 0.0121 0.0957 0.3504
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0121 0.0957 1
Brugia malayi cytochrome P450 0.0121 0.0957 0.1365
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0112 0.086 0.1049
Trypanosoma cruzi cytochrome P450, putative 0.0196 0.1743 0.2126
Brugia malayi Cytochrome P450 family protein 0.0196 0.1743 0.2486
Leishmania major delta-4 fatty acid desaturase 0.0112 0.086 0.1049
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0121 0.0957 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0121 0.0957 1
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0121 0.0957 0.11
Onchocerca volvulus Huntingtin homolog 0.0148 0.1238 0.1489
Brugia malayi hypothetical protein 0.0286 0.2689 0.3835
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0121 0.0957 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.1917 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.1995 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5821 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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